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CAS No.: | 1564-29-0 |
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Name: | 4-[4-(Dimethylamino)benzylidene]-2-phenyl-2-oxazolin-5-one |
Article Data: | 62 |
Molecular Structure: | |
Formula: | C18H16N2O2 |
Molecular Weight: | 292.337 |
Synonyms: | 2-Oxazolin-5-one,4-[p-(dimethylamino)benzylidene]-2-phenyl- (6CI,7CI,8CI);4-(4-(Dimethylamino)benzylidene)-2-phenyl-4H-oxazol-5-one;4-(p-N,N-Dimethylaminophenylmethylene)-2-phenyl-5-oxazolone;4-[4-(Dimethylamino)benzylidene]-2-phenyl-2-oxazolin-5-one;4-[[4-(Dimethylamino)phenyl]methylene]-2-phenyl-5(4H)-oxazolone;NSC 658695;NSC 83807;Orange Red II;p-(Dimethylaminobenzylidene)hippuric acid azlactone; |
Density: | 1.14 g/cm3 |
Melting Point: | 216.5-217 °C |
Boiling Point: | 451.7 °C at 760 mmHg |
Flash Point: | 227 °C |
PSA: | 41.90000 |
LogP: | 2.53270 |
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The 5(4H)-Oxazolone,4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl-, with the CAS registry number 1564-29-0, is also known as 4-[4-(Dimethylamino)benzylidene]-2-phenyl-2-oxazolin-5-one. It belongs to the product category of Piperazine derivates. This chemical's molecular formula is C18H16N2O2 and molecular weight is 292.33. What's more, its systematic name is 4-[4-(Dimethylamino)benzylidene]-2-phenyl-1,3-oxazol-5(4H)-one.
Physical properties of 5(4H)-Oxazolone,4-[[4-(dimethylamino)phenyl]methylene]-2-phenyl- are: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 41.9 Å2; (7)Index of Refraction: 1.597; (8)Molar Refractivity: 86.73 cm3; (9)Molar Volume: 254.3 cm3; (10)Polarizability: 34.38×10-24cm3; (11)Surface Tension: 42.2 dyne/cm; (12)Density: 1.14 g/cm3; (13)Flash Point: 227 °C; (14)Enthalpy of Vaporization: 71.08 kJ/mol; (15)Boiling Point: 451.7 °C at 760 mmHg; (16)Vapour Pressure: 2.37E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C2O\C(=N/C2=Cc1ccc(N(C)C)cc1)c3ccccc3
(2)InChI: InChI=1S/C18H16N2O2/c1-20(2)15-10-8-13(9-11-15)12-16-18(21)22-17(19-16)14-6-4-3-5-7-14/h3-12H,1-2H3
(3)InChIKey: GVIKVHOLUBDIRH-UHFFFAOYSA-N